5-chloro-4-(2-fluorohexan-2-yl)pyrimidine

C10H14ClFN2 — CID 70181267

IUPAC5-chloro-4-(2-fluorohexan-2-yl)pyrimidine
SMILESCCCCC(C)(F)c1ncncc1Cl
InChIInChI=1S/C10H14ClFN2/c1-3-4-5-10(2,12)9-8(11)6-13-7-14-9/h6-7H,3-5H2,1-2H3
InChIKeyHWFYIUHVWDQVBN-UHFFFAOYSA-N
MW216.69 g/mol
LogP3.50
Rot. Bonds4

About 5-chloro-4-(2-fluorohexan-2-yl)pyrimidine

5-chloro-4-(2-fluorohexan-2-yl)pyrimidine (PubChem CID 70181267) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 5-chloro-4-(2-fluorohexan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-(2-fluorohexan-2-yl)pyrimidine
PubChem CID70181267
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name5-chloro-4-(2-fluorohexan-2-yl)pyrimidine
SMILESCCCCC(C)(F)c1ncncc1Cl
InChIInChI=1S/C10H14ClFN2/c1-3-4-5-10(2,12)9-8(11)6-13-7-14-9/h6-7H,3-5H2,1-2H3
InChIKeyHWFYIUHVWDQVBN-UHFFFAOYSA-N
XLogP3.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-fluorohexan-2-yl)pyrimidine?
The IUPAC name of 5-chloro-4-(2-fluorohexan-2-yl)pyrimidine (CID 70181267) is 5-chloro-4-(2-fluorohexan-2-yl)pyrimidine.
What is the SMILES notation for 5-chloro-4-(2-fluorohexan-2-yl)pyrimidine?
The canonical SMILES for 5-chloro-4-(2-fluorohexan-2-yl)pyrimidine is CCCCC(C)(F)c1ncncc1Cl.
What is the InChIKey of 5-chloro-4-(2-fluorohexan-2-yl)pyrimidine?
The InChIKey is HWFYIUHVWDQVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-3-4-5-10(2,12)9-8(11)6-13-7-14-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-chloro-4-(2-fluorohexan-2-yl)pyrimidine?
5-chloro-4-(2-fluorohexan-2-yl)pyrimidine has a molecular weight of 216.69 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-fluorohexan-2-yl)pyrimidine is sourced from PubChem (CID 70181267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).